6-chloranyl-4-[2-(1-oxidanylcyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one

Systemtic Name: 6-chloranyl-4-[2-(1-oxidanylcyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Openeye Name: 6-chloro-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one CAS Name: 6-chloro-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one IUPAC Name: 6-chloro-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Traditional Name: 6-chloro-4-[2-(1-hydroxycyclopropyl)ethynyl]-4-(trifluoromethyl)-1H-3,1-benzoxazin-2-one Formula: C14H9ClF3NO3 MolecularWeight: 331.67437

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)O

Isomeric SMILES

C1CC1(C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F)O

InChI

InChI=1S/C14H9ClF3NO3/c15-8-1-2-10-9(7-8)13(14(16,17)18,22-11(20)19-10)6-5-12(21)3-4-12/h1-2,7,21H,3-4H2,(H,19,20)